Compound Detail
CHEMBL578331
9-N-NEOPENTYLMANZAMINE A Enter ChEMBL ID:
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CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C\CCCCN6[C@H]34)C5)c21
Basic Information
| ChEMBL ID | CHEMBL578331 |
| Name | 9-N-NEOPENTYLMANZAMINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBARWLHFNPNTFV-CVIUFDFNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
8.38
ALogP
5
HBA
1
HBD
44.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.16 | 7.16 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 70.0 | nM | 7.16 | Antineuroinflammatory activity in LPS-stimulated rat neonatal microglia assessed... | 20017491 |
| NON-PROTEIN TARGET | IC50 | = | 70.0 | nM | 7.16 | Antineuroinflammatory activity in LPS-stimulated rat neonatal microglia assessed... | 20017491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20017491 | 10.1021/jm900672t | NON-PROTEIN TARGET | 3 |
| 20017491 | 10.1021/jm900672t | Plasmodium falciparum | 2 |
| 20017491 | 10.1021/jm900672t | Mycobacterium intracellulare | 1 |
| 20017491 | 10.1021/jm900672t | Cryptococcus neoformans | 1 |
| 20017491 | 10.1021/jm900672t | Candida albicans | 1 |
| 20017491 | 10.1021/jm900672t | Mycobacterium tuberculosis | 1 |
| 20017491 | 10.1021/jm900672t | Vero | 1 |
Data from ChEMBL 36 via Core Engine